Main Page: Difference between revisions

Revision as of 19:50, 25 April 2024

Welcome to DISI (pronounce: /dizzy/ which is short for DISI Is Still Incomplete), a wiki focusing on computational pharmacology and ligand discovery tools hosted by docking.org on behalf of the Irwin Lab and Shoichet Lab. This wiki aims to serve several constituencies, and is a work in progress. Please work with us and help us improve it. Tell us how we are doing

WHO are you?

This site contains information for lab members and for everyone using our public tools:

WHY are you here?

Docking (DOCK 3.8)
Systems pharmacology
Colloidal aggregation of small molecules
Chemical informatics
DOCKovalent_3.7 - Covalent docking
more topics

Do you have a question?

We are trying to organize these pages:

WHAT - manuals, such as they are.
HOW - Tutorials, such as they are.
WHY - still working on turning our concept into an idea.
Other - Everything else

Still haven't found what you're looking for?

Try the search bar top right to see if that works...

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-Welcome to [[DISI:About | DISI]], the site where we document the computer methods in our lab. We invite you to contribute once you create an account and log in to ensure proper attributions. This is not an advertising forum, but if it educates or enlightens, your [[Contribute |contribution]] is welcome.
+Welcome to [[DISI:About | DISI]] (pronounce: /dizzy/ which is short for DISI Is Still Incomplete), a wiki focusing on computational pharmacology and ligand discovery tools hosted by docking.org on behalf of the [[Irwin Lab]] and [[Shoichet Lab]].  This wiki aims to serve several [[:Category:Roles | constituencies]], and is a work in progress.  Please [[Contribute |work with us and help us improve]] it.
+[https://forms.gle/LZV1FCmLWxUWznVi9 Tell us how we are doing]
-[[:Category:ZINC|ZINC]] || Commercially available compounds || [http://zinc.docking.org zinc.docking.org]
-= What do you want to do? =
+== WHO are you? ==
+This site contains information for lab members and for everyone using our public tools:
+* [[Welcome group members | Lab members with ssh]]
+* [[Welcome web user | Non members without ssh ]]
-== Ligands for my target ==
+== WHY are you here? ==
-* [[:Category:Docking|Molecular Docking]]
+* [[:Category:Docking | Docking ]] ([[DOCK_3.8|DOCK 3.8]])
-* [[:Category:Covalent]]
+* [[:Category:Systems pharmacology | Systems pharmacology]]
-* [[Hit picking party]] || [[DOCK 3.7]]
+* [[:Category:Aggregation | Colloidal aggregation of small molecules]]
-* [[:Category:DOCK |DOCK]] ||  Our molecular docking software ||  Latest are [[DOCK 3.7]] and [[DOCK 6.6]]
+* [[:Category:Cheminformatics | Chemical informatics]]
-* [[DOCK Blaster]] ||  A public access service for docking screens || [http://blaster.docking.org blaster.docking.org]
+* [[DOCKovalent_3.7]] - Covalent docking
-* [[DUDE]] and [[DUD]] || Benchmarks for docking|| [http://dude.docking.org/generate dude.docking.org/generate]
+* more [[:Category:Topic | topics]]
-* [[HEI]] || Substrate discovery and function ID ||  [http://hei.docking.org hei.docking.org] [http://metabolites.docking.org metabolites.docking.org]
-== Targets for my ligand(s) ==
+== Do you have a question? ==
-* [[:Category:Systems pharmacology | Systems pharmacology]]
+We are trying to organize these pages:
-* [[SEA]] || Similarity Ensemble Approach || Drug repurposing, target ID
-== Introduction, overview, navigation, help ==
+* [[:Category:Manual | WHAT ]] - manuals, such as they are.
-* [[Welcome web user | Welcome! ]]
+* [[:Category:Tutorials | HOW ]] - Tutorials, such as they are.
-* [[Welcome group members | Lab Members]]
+* [[:Category:Theory | WHY ]] - still working on turning our concept into an idea.
-* [[:Category:Tutorials | Tutorials ]]
+* [[:Category:Article_type | Other ]] - Everything else
-* [[Assaying Compound Activity]]
-* [[:Category:Topic | Topics ]]
-* [[Special:Categories| Categories]]
-* [[:Category:Roles |Roles]]
-* [[:Category:Article type | Article type]]
-* [[:Category:Attributes |Attributes]]
-* [[:Category:Software|Software ]]
-* [[:Category:Databases | Databases]]
-* [[:Category:Free|Free]] || [[:Category:Freecom|Free to some]] || [[:Category:Commercial|Commercial]]
-== Everything else ==
-* [[Group Meeting]] || [http://www.bkslab.org Lab webpages]
-*  [[:Category:Aggregation| Colloidal aggregation]]
-* [[:Category:Model systems | Model systems ]]
-* [[:Category:FAQ|FAQ]] || [[Feedback]]
-* [[:Category:Problems | Problems]]
-* [[:Category:Theory |Theory pages]]
-* [[:Category:Jargon | Jargon]]
- [[Aggregator Advisor]] ||A public access database of known aggregators ||  [http://advisor.docking.org advisor.docking.org]
-== FOTL ==
-* [[Travel Depth]], [[qnifft DOCK 3.6 conversion| QNIFFT]] and [http://crystal.med.upenn.edu/software.html  related software] for structural analysis from the [http://crystal.med.upenn.edu/  Sharp lab]
-* [[PLOP]] - protein modeling program from the [http://francisco.compbio.ucsf.edu/~jacobson/ Jacobson group].
-* [[Modeller]] - comparative modeling program from the [http://salilab.org Sali Group].
-* Software vendors: [[OpenEye]], [[ChemAxon]], [[Molinspiration]]
-* Software providers: [[rdkit]], [[Knime]]
-* [http://zinc.docking.org/browse/catalogs/purchasable.php Compound vendors] and [http://zinc.docking.org/browse/catalogs/annotated.php Annotated catalog providers]
-* [[Contract Research Organizations]]
-* Transformative databases: [[DrugBank]], [[HMDB]], [[ChEMBL]].
+== Still haven't found what you're looking for? ==
+Try the search bar top right to see if that works...
 [[Category:Info]]
+[[Category:Organization]]